Tert-butyl N-[(1-aminocyclopropylidene)methyl]carbamate

CAS No.：

Cat. No.: SC251302

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Product Name :Tert-butyl N-[(1-aminocyclopropylidene)methyl]carbamate

Cat. No.: :SC251302

Purity / Specification :—

CAS No. :265987-99-3

MDL No. :—

Molecular Formula :C₈H₁₆N₂O₂

LogP :—

Molecular Weight :172.23

TPSA :—

Category :CRO / Contract Research

HSN Code :—

SMILES Code :N[C@H]1[C@@H](C1)NC(OC(C)(C)C)=O

Melting Point :—

InChI Key : :XDHLWTHTPXBYLH-PHDIDXHHSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

MW ≤ 500 Da✓ 172.2 Da

LogP ≤ 5— N/A

HBD ≤ 5— N/A

HBA ≤ 10— N/A

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

29/100

Fragment / low drug-likeness

Predicted LogP

N/A

CNS Permeability

Clark model · J Pharm Sci, 1999

TPSA data required

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.